ethyl 4-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H34N4O3/c1-6-32-22(31)11-10-21(30)28-12-14-29(15-13-28)25-23(17(2)3)19(5)26-24(27-25)20-9-7-8-18(4)16-20/h7-9,16-17H,6,10-15H2,1-5H3